SCHEMBL4249403

SCHEMBL4249403

CC(C)Cc1cc(CNCCN2CCN(c3cccc(Cl)c3)CC2)nn1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.58
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
MAPK1 P28482 1/20 0.52
CACNA1G O43497 7/20 0.50
CACNA1H O95180 6/20 0.50
KCNH2 Q12809 6/20 0.50
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
SIGMAR1 Q99720 2/20 0.47
PKM P14618 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5011444 0.92 HTR6 (0.50) HTR6ALDH1A1LMNAMAPK1CACNA1G
SCHEMBL4249520 0.91 KCNH2 (0.53) HTR6ALDH1A1CACNA1GCACNA1HKCNH2
SCHEMBL4245515 0.89 CACNA1G (0.60) ALDH1A1LMNAMAPK1CACNA1GKCNH2
SCHEMBL4251621 0.86 DRD2 (0.46) HTR6ALDH1A1LMNAMAPK1CACNA1G
SCHEMBL4255387 0.85 ALDH1A1 (0.59) ALDH1A1LMNAMAPK1CACNA1GKCNH2
SCHEMBL4248345 0.85 CACNA1G (0.48) HTR6CACNA1GCACNA1HKCNH2
SCHEMBL4245856 0.84 CACNA1G (0.48) HTR6ALDH1A1CACNA1GCACNA1HKCNH2
SCHEMBL4245570 0.84 CACNA1G (0.47) HTR6ALDH1A1CACNA1GCACNA1HKCNH2
SCHEMBL4248013 0.83 CACNA1G (0.48) HTR6CACNA1GCACNA1HKCNH2
SCHEMBL4245552 0.83 HTR6 (0.47) HTR6CACNA1GCACNA1HKCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1757590-B1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof KOREA INST SCI & TECH (KR) 2009-12-02 EP claimed
US-7544686-B2 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-06-09 US claimed
US-20070049604-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2007-03-01 US claimed
EP-1757590-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof Korea Institute of Science and Technology (KR) 2007-02-28 EP claimed
EP-1757590-B1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof KOREA INST SCI & TECH (KR) 2009-12-02 EP disclosed
US-7544686-B2 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-06-09 US disclosed
US-20070049604-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2007-03-01 US disclosed
EP-1757590-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof Korea Institute of Science and Technology (KR) 2007-02-28 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070049604-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof CACNA1I, CACNA1G, CACNA1H HTR6 3576/4885ALDH1A1 2701/4885LMNA 1425/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.